SCHEMBL7998964

SCHEMBL7998964

CC(=O)Oc1c(O)c2ccc([N+](=O)[O-])cc2n(C)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.45
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
MAPT P10636 7/20 0.39
GAA P10253 2/20 0.38
HTT P42858 2/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8004354 0.87 RECQL (0.44) RECQLMEN1KMT2AALDH1A1KDM4E
SCHEMBL7988582 0.86 ALDH1A1 (0.45) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL8001668 0.85 CYP1A2 (0.41) RECQLMEN1KMT2AALDH1A1KDM4E
SCHEMBL8004106 0.85 CYP1A2 (0.48) RECQLMEN1KMT2AALDH1A1KDM4E
SCHEMBL8004395 0.84 KDM4E (0.45) RECQLMEN1KMT2AALDH1A1KDM4E
SCHEMBL7988296 0.83 MEN1 (0.42) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL8001349 0.83 CYP19A1 (0.40) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL7988997 0.83 MAPT (0.39) MEN1KMT2AALDH1A1KDM4ECA12
SCHEMBL7998962 0.82 KDM4E (0.41) RECQLMEN1KMT2AALDH1A1KDM4E
SCHEMBL7988474 0.82 MAPT (0.47) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6114352-A Quinolinone derivative and anti-allergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK AND CHEMICALS, INC. (JP) 2000-09-05 US disclosed
EP-0785190-B1 Quinolinone derivative and antiallergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK & CHEMICALS (JP) 2000-08-16 EP disclosed
US-5942521-A Quinolinone derivative and anti-allergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-08-24 US disclosed
EP-0785190-A2 Quinolinone derivative and antiallergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK AND CHEMICALS, INC. (JP) 1997-07-23 EP disclosed